![8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide structure](/static/products/161/161464-45-5.png)
8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide
TL;DR: 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide (CAS 161464-45-5) is a chemical compound with molecular formula C9H5ClN4O and molecular weight 220.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Also Known As: 8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide, 8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium, 8-Chloropyrazolo[5,1-c][1,2,4] benzotriazine 5-oxide, 8-chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
| Molecular Formula | C9H5ClN4O |
|---|---|
| Molecular Weight | 220.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.01518 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 161464-45-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N3C(=CC=N3)N=[N+]2[O-] |
| InChIKey | PSEJXMDHUVJOEJ-UHFFFAOYSA-N |
Product Overview
8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide (CAS 161464-45-5), with molecular formula C9H5ClN4O and molecular weight 220.02 g/mol. IUPAC: 8-chloro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium.
Chemical Property Profile of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide
Property Insights of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide. With a topological polar surface area (TPSA) of 55.7 Ų, 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide?
The CAS number of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide is 161464-45-5.
What is the molecular formula of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide?
The molecular formula of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide is C9H5ClN4O.
What is the molecular weight of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide?
The molecular weight of 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide is 220.02 g/mol.
Where can I buy 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide?
You can request a quote for 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.